#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:22:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179627 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/91/4509106.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509106
loop_
_publ_author_name
'Liang, Xiao-Qiang'
'Zhou, Xin-Hui'
'Chen, Chao'
'Xiao, Hong-Ping'
'Li, Yi-Zhi'
'Zuo, Jing-Lin'
'You, Xiao-Zeng'
_publ_section_title
;
 Self-Assembly of Metal−Organic Coordination Polymers Constructed
 from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and
 Structures
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1041
_journal_paper_doi               10.1021/cg8008859
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C52 H38 N10 O10 Zn2'
_chemical_formula_weight         1093.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.327(4)
_cell_angle_beta                 96.930(4)
_cell_angle_gamma                102.439(3)
_cell_formula_units_Z            2
_cell_length_a                   10.440(2)
_cell_length_b                   12.786(3)
_cell_length_c                   20.152(4)
_cell_measurement_reflns_used    1134
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.525
_cell_volume                     2441.6(9)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXTL (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker Smart Apex CCD '
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13147
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_T_max  0.8580
_exptl_absorpt_correction_T_min  0.7158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.906
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         9342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0695P)²+1.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1276
_refine_ls_wR_factor_ref         0.1341
_reflns_number_gt                6710
_reflns_number_total             9342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8008859sup1.cif
_cod_data_source_block           70410dm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4509106
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.5229(4) 0.0168(4) 0.1915(2) 0.0374(9) Uani 1 1 d .
H1 H 0.4400 0.0242 0.2016 0.045 Uiso 1 1 calc R
C2 C 0.5601(4) 0.0414(4) 0.1347(2) 0.0375(9) Uani 1 1 d .
H2 H 0.5047 0.0686 0.1083 0.045 Uiso 1 1 calc R
C3 C 0.6789(4) 0.0266(3) 0.1157(2) 0.0338(8) Uani 1 1 d .
C4 C 0.7564(4) -0.0146(3) 0.1570(2) 0.0330(8) Uani 1 1 d .
H4 H 0.8360 -0.0291 0.1453 0.040 Uiso 1 1 calc R
C5 C 0.7153(4) -0.0338(3) 0.2149(2) 0.0311(8) Uani 1 1 d .
H5 H 0.7702 -0.0594 0.2427 0.037 Uiso 1 1 calc R
C6 C 0.7178(4) 0.0513(3) 0.0533(2) 0.0324(8) Uani 1 1 d .
C7 C 0.7915(4) 0.0251(3) -0.0464(2) 0.0325(8) Uani 1 1 d .
C8 C 0.7052(4) 0.1362(3) 0.0271(2) 0.0322(8) Uani 1 1 d .
C9 C 0.6537(4) 0.2357(3) 0.0569(2) 0.0314(8) Uani 1 1 d .
C10 C 0.6882(4) 0.2991(4) 0.1297(2) 0.0396(10) Uani 1 1 d .
H10 H 0.7443 0.2792 0.1604 0.048 Uiso 1 1 calc R
C11 C 0.6382(4) 0.3916(4) 0.1557(2) 0.0386(9) Uani 1 1 d .
H11 H 0.6631 0.4338 0.2043 0.046 Uiso 1 1 calc R
C12 C 0.5250(4) 0.3643(3) 0.0449(2) 0.0335(8) Uani 1 1 d .
H12 H 0.4692 0.3863 0.0154 0.040 Uiso 1 1 calc R
C13 C 0.5721(4) 0.2712(4) 0.01414(19) 0.0328(8) Uani 1 1 d .
H13 H 0.5490 0.2326 -0.0350 0.039 Uiso 1 1 calc R
C14 C 0.8429(4) -0.0293(3) -0.1094(2) 0.0338(9) Uani 1 1 d .
C15 C 0.8413(5) 0.0146(4) -0.1640(2) 0.0436(10) Uani 1 1 d .
H15 H 0.8136 0.0805 -0.1596 0.052 Uiso 1 1 calc R
C16 C 0.8816(5) -0.0412(4) -0.2253(2) 0.0464(11) Uani 1 1 d .
H16 H 0.8790 -0.0109 -0.2616 0.056 Uiso 1 1 calc R
C17 C 0.9271(5) -0.1733(4) -0.1824(3) 0.0490(11) Uani 1 1 d .
H17 H 0.9574 -0.2383 -0.1882 0.059 Uiso 1 1 calc R
C18 C 0.8894(4) -0.1252(4) -0.1186(2) 0.0413(10) Uani 1 1 d .
H18 H 0.8952 -0.1567 -0.0829 0.050 Uiso 1 1 calc R
C19 C 0.5259(4) 0.1929(4) 0.3632(2) 0.0364(9) Uani 1 1 d .
H19 H 0.5973 0.1995 0.3399 0.044 Uiso 1 1 calc R
C20 C 0.4780(4) 0.2866(3) 0.3890(2) 0.0345(9) Uani 1 1 d .
H20 H 0.5164 0.3542 0.3821 0.041 Uiso 1 1 calc R
C21 C 0.3733(4) 0.2818(4) 0.4250(2) 0.0361(9) Uani 1 1 d .
C22 C 0.3245(5) 0.1788(4) 0.4331(3) 0.0502(11) Uani 1 1 d .
H22 H 0.2543 0.1701 0.4570 0.060 Uiso 1 1 calc R
C23 C 0.3771(5) 0.0893(4) 0.4068(3) 0.0489(11) Uani 1 1 d .
H23 H 0.3432 0.0218 0.4148 0.059 Uiso 1 1 calc R
C24 C 0.3166(4) 0.3780(3) 0.4545(2) 0.0372(9) Uani 1 1 d .
C25 C 0.3179(4) 0.4711(3) 0.4344(2) 0.0325(8) Uani 1 1 d .
C26 C 0.2196(4) 0.4801(3) 0.5259(2) 0.0358(9) Uani 1 1 d .
C27 C 0.1534(4) 0.5251(3) 0.5850(2) 0.0374(9) Uani 1 1 d .
C28 C 0.1204(5) 0.6273(4) 0.5991(2) 0.0462(11) Uani 1 1 d .
H28 H 0.1369 0.6703 0.5700 0.055 Uiso 1 1 calc R
C29 C 0.0629(5) 0.6648(4) 0.6565(3) 0.0542(12) Uani 1 1 d .
H29 H 0.0425 0.7346 0.6653 0.065 Uiso 1 1 calc R
C30 C 0.0634(5) 0.5083(5) 0.6851(3) 0.0600(13) Uani 1 1 d .
H30 H 0.0428 0.4658 0.7141 0.072 Uiso 1 1 calc R
C31 C 0.1219(5) 0.4637(4) 0.6292(3) 0.0524(12) Uani 1 1 d .
H31 H 0.1401 0.3932 0.6211 0.063 Uiso 1 1 calc R
C32 C 0.3572(4) 0.4968(4) 0.3724(2) 0.0375(9) Uani 1 1 d .
C33 C 0.3133(4) 0.4138(3) 0.3051(2) 0.0396(9) Uani 1 1 d .
H33 H 0.2564 0.3432 0.2991 0.047 Uiso 1 1 calc R
C34 C 0.3528(4) 0.4346(3) 0.2478(2) 0.0407(10) Uani 1 1 d .
H34 H 0.3238 0.3765 0.2033 0.049 Uiso 1 1 calc R
C35 C 0.4747(4) 0.6156(4) 0.3175(2) 0.0428(10) Uani 1 1 d .
H35 H 0.5319 0.6853 0.3221 0.051 Uiso 1 1 calc R
C36 C 0.4391(5) 0.6006(4) 0.3774(3) 0.0507(11) Uani 1 1 d .
H36 H 0.4697 0.6597 0.4213 0.061 Uiso 1 1 calc R
C37 C 0.2905(4) -0.1888(3) 0.3088(2) 0.0351(9) Uani 1 1 d .
C38 C 0.1460(4) -0.2267(4) 0.2729(2) 0.0423(10) Uani 1 1 d .
C39 C 0.1085(4) -0.2738(4) 0.1991(2) 0.0442(10) Uani 1 1 d .
H39 H 0.1730 -0.2873 0.1718 0.053 Uiso 1 1 calc R
C40 C -0.0226(4) -0.3005(4) 0.1662(2) 0.0390(10) Uani 1 1 d .
H40 H -0.0470 -0.3323 0.1167 0.047 Uiso 1 1 calc R
C41 C -0.1202(4) -0.2802(4) 0.2067(2) 0.0431(10) Uani 1 1 d .
C42 C -0.0826(5) -0.2347(4) 0.2803(2) 0.0435(10) Uani 1 1 d .
H42 H -0.1467 -0.2214 0.3078 0.052 Uiso 1 1 calc R
C43 C 0.0497(4) -0.2090(4) 0.3130(2) 0.0418(10) Uani 1 1 d .
H43 H 0.0740 -0.1795 0.3626 0.050 Uiso 1 1 calc R
C44 C -0.2644(4) -0.3117(4) 0.1703(2) 0.0397(10) Uani 1 1 d .
C45 C 0.7734(4) 0.0051(4) 0.4046(2) 0.0382(9) Uani 1 1 d .
C46 C 0.8920(4) 0.0016(4) 0.4532(2) 0.0401(9) Uani 1 1 d .
C47 C 0.9946(4) 0.1014(3) 0.48923(19) 0.0303(8) Uani 1 1 d .
H47 H 0.9907 0.1691 0.4820 0.036 Uiso 1 1 calc R
C48 C 0.8984(4) -0.0995(4) 0.4645(2) 0.0427(10) Uani 1 1 d .
H48 H 0.8299 -0.1661 0.4406 0.051 Uiso 1 1 calc R
C49 C 0.2432(4) 0.4953(3) 0.0822(2) 0.0339(9) Uani 1 1 d .
C50 C 0.1166(4) 0.4979(3) 0.0401(2) 0.0331(8) Uani 1 1 d .
C51 C 0.1142(4) 0.5858(4) 0.0142(2) 0.0400(9) Uani 1 1 d .
H51 H 0.1920 0.6442 0.0239 0.048 Uiso 1 1 calc R
C52 C 0.0010(4) 0.4117(3) 0.0255(2) 0.0311(8) Uani 1 1 d .
H52 H 0.0009 0.3519 0.0424 0.037 Uiso 1 1 calc R
N1 N 0.6009(3) -0.0182(3) 0.23413(18) 0.0334(7) Uani 1 1 d .
N2 N 0.7771(3) -0.0181(3) 0.00714(17) 0.0341(7) Uani 1 1 d .
H2A H 0.8004 -0.0767 0.0111 0.041 Uiso 1 1 calc R
N3 N 0.7491(3) 0.1179(3) -0.03576(18) 0.0368(8) Uani 1 1 d .
N4 N 0.9233(4) -0.1338(3) -0.2360(2) 0.0486(9) Uani 1 1 d .
N5 N 0.5556(3) 0.4244(3) 0.11484(18) 0.0369(8) Uani 1 1 d .
N6 N 0.4747(3) 0.0937(3) 0.37010(18) 0.0365(8) Uani 1 1 d .
N7 N 0.2551(4) 0.3845(3) 0.51172(18) 0.0376(8) Uani 1 1 d .
N8 N 0.2554(3) 0.5367(3) 0.48036(17) 0.0349(7) Uani 1 1 d .
H8 H 0.2413 0.6006 0.4806 0.042 Uiso 1 1 calc R
N9 N 0.0341(4) 0.6089(4) 0.7007(2) 0.0542(11) Uani 1 1 d .
N10 N 0.4316(3) 0.5351(3) 0.25233(16) 0.0305(7) Uani 1 1 d .
O1 O 0.3734(3) -0.1622(2) 0.27082(15) 0.0373(6) Uani 1 1 d .
O2 O 0.3260(3) -0.1761(3) 0.37248(16) 0.0447(7) Uani 1 1 d .
O3 O -0.2959(3) -0.3282(3) 0.10627(15) 0.0411(7) Uani 1 1 d .
O4 O -0.3500(3) -0.3230(3) 0.20978(15) 0.0471(8) Uani 1 1 d .
O5 O 0.7684(3) 0.0972(3) 0.39736(16) 0.0470(8) Uani 1 1 d .
O6 O 0.6821(3) -0.0880(2) 0.37232(14) 0.0371(6) Uani 1 1 d .
O7 O 0.3401(3) 0.5845(3) 0.10321(16) 0.0462(7) Uani 1 1 d .
O8 O 0.2497(3) 0.4071(2) 0.09520(15) 0.0387(6) Uani 1 1 d .
O9 O 0.8193(3) 0.7890(3) 0.02287(18) 0.0388(7) Uani 1 1 d .
H9A H 0.792(5) 0.760(4) 0.053(3) 0.047 Uiso 1 1 d .
H9B H 0.805(5) 0.731(4) -0.018(3) 0.047 Uiso 1 1 d .
O10 O 0.7679(4) 0.2628(3) 0.5289(2) 0.0539(9) Uani 1 1 d .
H10A H 0.753(6) 0.215(5) 0.491(3) 0.065 Uiso 1 1 d .
H10B H 0.731(5) 0.256(5) 0.566(3) 0.065 Uiso 1 1 d .
Zn1 Zn 0.54076(4) -0.04742(4) 0.32117(2) 0.03118(13) Uani 1 1 d .
Zn2 Zn 0.48357(4) 0.56088(4) 0.16261(2) 0.02877(12) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 123.0(4) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C1 C2 C3 120.5(4) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C2 C3 C4 116.8(4) . .
C2 C3 C6 120.5(4) . .
C4 C3 C6 122.7(4) . .
C5 C4 C3 119.5(3) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
N1 C5 C4 123.9(3) . .
N1 C5 H5 118.1 . .
C4 C5 H5 118.1 . .
C8 C6 N2 106.2(3) . .
C8 C6 C3 132.2(3) . .
N2 C6 C3 121.5(3) . .
N3 C7 N2 112.0(3) . .
N3 C7 C14 124.6(4) . .
N2 C7 C14 123.3(3) . .
N3 C8 C6 110.1(3) . .
N3 C8 C9 120.6(3) . .
C6 C8 C9 129.3(3) . .
C13 C9 C10 117.6(3) . .
C13 C9 C8 121.7(3) . .
C10 C9 C8 120.7(4) . .
C11 C10 C9 119.0(4) . .
C11 C10 H10 120.5 . .
C9 C10 H10 120.5 . .
N5 C11 C10 123.7(4) . .
N5 C11 H11 118.1 . .
C10 C11 H11 118.1 . .
N5 C12 C13 123.3(4) . .
N5 C12 H12 118.3 . .
C13 C12 H12 118.3 . .
C12 C13 C9 119.5(3) . .
C12 C13 H13 120.2 . .
C9 C13 H13 120.2 . .
C18 C14 C15 117.5(4) . .
C18 C14 C7 123.6(4) . .
C15 C14 C7 118.9(4) . .
C16 C15 C14 118.8(4) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
N4 C16 C15 124.9(4) . .
N4 C16 H16 117.6 . .
C15 C16 H16 117.6 . .
N4 C17 C18 125.0(4) . .
N4 C17 H17 117.5 . .
C18 C17 H17 117.5 . .
C14 C18 C17 118.2(4) . .
C14 C18 H18 120.9 . .
C17 C18 H18 120.9 . .
N6 C19 C20 122.7(4) . .
N6 C19 H19 118.6 . .
C20 C19 H19 118.6 . .
C19 C20 C21 120.8(4) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C22 C21 C20 115.2(4) . .
C22 C21 C24 120.5(4) . .
C20 C21 C24 124.3(4) . .
C23 C22 C21 121.2(4) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
N6 C23 C22 123.1(4) . .
N6 C23 H23 118.5 . .
C22 C23 H23 118.5 . .
C25 C24 N7 110.7(3) . .
C25 C24 C21 129.0(4) . .
N7 C24 C21 120.3(3) . .
C24 C25 N8 105.6(3) . .
C24 C25 C32 131.3(4) . .
N8 C25 C32 122.6(4) . .
N7 C26 N8 112.1(3) . .
N7 C26 C27 124.6(4) . .
N8 C26 C27 123.2(4) . .
C28 C27 C31 117.3(4) . .
C28 C27 C26 122.9(4) . .
C31 C27 C26 119.9(4) . .
C29 C28 C27 119.2(5) . .
C29 C28 H28 120.4 . .
C27 C28 H28 120.4 . .
N9 C29 C28 124.8(5) . .
N9 C29 H29 117.6 . .
C28 C29 H29 117.6 . .
N9 C30 C31 124.4(5) . .
N9 C30 H30 117.8 . .
C31 C30 H30 117.8 . .
C30 C31 C27 119.0(5) . .
C30 C31 H31 120.5 . .
C27 C31 H31 120.5 . .
C36 C32 C33 116.9(4) . .
C36 C32 C25 123.4(4) . .
C33 C32 C25 119.7(4) . .
C34 C33 C32 120.4(4) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
N10 C34 C33 122.9(4) . .
N10 C34 H34 118.6 . .
C33 C34 H34 118.6 . .
N10 C35 C36 123.4(4) . .
N10 C35 H35 118.3 . .
C36 C35 H35 118.3 . .
C35 C36 C32 119.5(4) . .
C35 C36 H36 120.2 . .
C32 C36 H36 120.2 . .
O2 C37 O1 122.7(4) . .
O2 C37 C38 121.7(4) . .
O1 C37 C38 115.3(4) . .
C43 C38 C39 119.5(4) . .
C43 C38 C37 119.9(4) . .
C39 C38 C37 120.5(4) . .
C40 C39 C38 120.4(4) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C39 C40 C41 120.3(4) . .
C39 C40 H40 119.9 . .
C41 C40 H40 119.9 . .
C42 C41 C40 119.1(4) . .
C42 C41 C44 120.9(4) . .
C40 C41 C44 120.0(4) . .
C43 C42 C41 120.3(4) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C38 C43 C42 120.5(4) . .
C38 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
O3 C44 O4 123.4(4) . .
O3 C44 C41 121.1(4) . .
O4 C44 C41 115.5(4) . .
O5 C45 O6 123.0(4) . .
O5 C45 C46 119.3(4) . .
O6 C45 C46 117.7(4) . .
C47 C46 C48 119.7(4) . .
C47 C46 C45 119.5(4) . .
C48 C46 C45 120.7(4) . .
C48 C47 C46 119.8(4) 2_756 .
C48 C47 H47 120.1 2_756 .
C46 C47 H47 120.1 . .
C47 C48 C46 120.4(4) 2_756 .
C47 C48 H48 119.8 2_756 .
C46 C48 H48 119.8 . .
O8 C49 O7 122.8(4) . .
O8 C49 C50 119.7(4) . .
O7 C49 C50 117.5(4) . .
C52 C50 C51 118.9(4) . .
C52 C50 C49 120.5(4) . .
C51 C50 C49 120.6(4) . .
C52 C51 C50 121.2(4) 2_565 .
C52 C51 H51 119.4 2_565 .
C50 C51 H51 119.4 . .
C51 C52 C50 119.9(4) 2_565 .
C51 C52 H52 120.1 2_565 .
C50 C52 H52 120.1 . .
C5 N1 C1 116.1(3) . .
C5 N1 Zn1 123.4(3) . .
C1 N1 Zn1 120.6(2) . .
C7 N2 C6 106.1(3) . .
C7 N2 H2A 127.0 . .
C6 N2 H2A 127.0 . .
C7 N3 C8 105.5(3) . .
C16 N4 C17 115.6(4) . .
C12 N5 C11 116.8(3) . .
C12 N5 Zn2 124.3(3) . .
C11 N5 Zn2 118.9(3) . .
C19 N6 C23 116.9(4) . .
C19 N6 Zn1 120.1(3) . .
C23 N6 Zn1 123.0(3) . .
C26 N7 C24 105.0(3) . .
C25 N8 C26 106.5(3) . .
C25 N8 H8 126.7 . .
C26 N8 H8 126.7 . .
C29 N9 C30 115.2(4) . .
C34 N10 C35 116.9(3) . .
C34 N10 Zn2 120.4(3) . .
C35 N10 Zn2 122.7(3) . .
C37 O1 Zn1 117.1(3) . .
C44 O4 Zn2 115.5(3) . 1_445
C45 O6 Zn1 105.7(3) . .
C49 O7 Zn2 108.2(3) . .
H9A O9 H9B 107(4) . .
H10A O10 H10B 125(6) . .
O1 Zn1 O6 119.83(12) . .
O1 Zn1 N1 97.38(12) . .
O6 Zn1 N1 108.96(12) . .
O1 Zn1 N6 101.89(13) . .
O6 Zn1 N6 121.34(13) . .
N1 Zn1 N6 103.91(13) . .
O4 Zn2 O7 122.92(14) 1_665 .
O4 Zn2 N10 96.94(13) 1_665 .
O7 Zn2 N10 113.27(13) . .
O4 Zn2 N5 100.16(14) 1_665 .
O7 Zn2 N5 115.96(13) . .
N10 Zn2 N5 104.56(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.353(5) .
C1 C2 1.358(5) .
C1 H1 0.9300 .
C2 C3 1.375(6) .
C2 H2 0.9300 .
C3 C4 1.386(5) .
C3 C6 1.471(5) .
C4 C5 1.365(5) .
C4 H4 0.9300 .
C5 N1 1.334(5) .
C5 H5 0.9300 .
C6 C8 1.372(5) .
C6 N2 1.375(5) .
C7 N3 1.319(5) .
C7 N2 1.367(5) .
C7 C14 1.468(5) .
C8 N3 1.367(5) .
C8 C9 1.469(5) .
C9 C13 1.382(5) .
C9 C10 1.393(6) .
C10 C11 1.373(5) .
C10 H10 0.9300 .
C11 N5 1.341(5) .
C11 H11 0.9300 .
C12 N5 1.336(5) .
C12 C13 1.379(5) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C18 1.382(6) .
C14 C15 1.385(6) .
C15 C16 1.383(6) .
C15 H15 0.9300 .
C16 N4 1.312(6) .
C16 H16 0.9300 .
C17 N4 1.328(6) .
C17 C18 1.384(6) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 N6 1.324(5) .
C19 C20 1.373(5) .
C19 H19 0.9300 .
C20 C21 1.384(5) .
C20 H20 0.9300 .
C21 C22 1.374(6) .
C21 C24 1.468(5) .
C22 C23 1.361(6) .
C22 H22 0.9300 .
C23 N6 1.331(5) .
C23 H23 0.9300 .
C24 C25 1.371(6) .
C24 N7 1.375(5) .
C25 N8 1.371(5) .
C25 C32 1.470(5) .
C26 N7 1.310(5) .
C26 N8 1.373(5) .
C26 C27 1.472(5) .
C27 C28 1.374(6) .
C27 C31 1.385(6) .
C28 C29 1.368(6) .
C28 H28 0.9300 .
C29 N9 1.328(6) .
C29 H29 0.9300 .
C30 N9 1.336(6) .
C30 C31 1.370(7) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C36 1.381(6) .
C32 C33 1.383(6) .
C33 C34 1.355(6) .
C33 H33 0.9300 .
C34 N10 1.338(5) .
C34 H34 0.9300 .
C35 N10 1.339(5) .
C35 C36 1.362(6) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 O2 1.241(5) .
C37 O1 1.283(5) .
C37 C38 1.495(6) .
C38 C43 1.377(6) .
C38 C39 1.387(6) .
C39 C40 1.366(6) .
C39 H39 0.9300 .
C40 C41 1.398(6) .
C40 H40 0.9300 .
C41 C42 1.383(6) .
C41 C44 1.501(6) .
C42 C43 1.377(6) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 O3 1.231(5) .
C44 O4 1.280(5) .
C45 O5 1.243(5) .
C45 O6 1.274(5) .
C45 C46 1.501(6) .
C46 C47 1.394(6) .
C46 C48 1.395(6) .
C47 C48 1.375(6) 2_756
C47 H47 0.9300 .
C48 C47 1.375(6) 2_756
C48 H48 0.9300 .
C49 O8 1.249(5) .
C49 O7 1.265(5) .
C49 C50 1.494(5) .
C50 C52 1.375(5) .
C50 C51 1.383(6) .
C51 C52 1.374(5) 2_565
C51 H51 0.9300 .
C52 C51 1.374(5) 2_565
C52 H52 0.9300 .
N1 Zn1 2.046(3) .
N2 H2A 0.8600 .
N5 Zn2 2.055(3) .
N6 Zn1 2.070(3) .
N8 H8 0.8600 .
N10 Zn2 2.051(3) .
O1 Zn1 1.941(3) .
O4 Zn2 1.932(3) 1_445
O6 Zn1 1.951(3) .
O7 Zn2 1.938(3) .
O9 H9A 0.86(5) .
O9 H9B 0.89(5) .
O10 H10A 0.79(6) .
O10 H10B 0.91(6) .
Zn2 O4 1.932(3) 1_665
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10 H10B O2 0.91(6) 1.90(6) 2.744(5) 153(5) 2_656
O10 H10A O5 0.79(6) 2.05(6) 2.826(5) 165(6) .
O9 H9B O8 0.89(5) 1.87(5) 2.743(4) 168(4) 2_665
O9 H9A O3 0.86(5) 1.95(5) 2.794(4) 168(5) 1_665
N2 H2A O9 0.86 1.85 2.704(4) 169.4 1_545
N8 H8 O10 0.86 1.84 2.688(5) 170.2 2_666
